Structure of PDB 1hmu Chain A Binding Site BS03 |
| >1hmu Chain A (length=674) Species: 984 (Pedobacter heparinus)
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GTAELIMKRVMLDLKKPLRNMDKVAEKNLNTLQPDGSWKDVPYKDDAMTN
WLPNNHLLQLETIIQAYIEKDSHYYGDDKVFDQISKAFKYWYDSDPKSRN
WWHNEIATPQALGEMLILMRYGKKPLDEALVHKLTERMKRGEPEKKTGAN
KTDIALHYFYRALLTSDEALLSFAVKELFYPVQFVHYEEGLQYDYSYLQH
GPQLQISSYGAVFITGVLKLANYVRDTPYALSTEKLAIFSKYYRDSYLKA
IRGSYMDFNVEGRGVSRPDILNKKAEKKRLLVAKMIDLKHTEEWADAIAR
TDSTVAAGYKIEPYHHQFWNGDYVQHLRPAYSFNVRMVSKRTRRSESGNK
ENLLGRYLSDGATNIQLRGPEYYNIMPVWEWDKIPGITSRDYLTDRPLTK
LWGEQGSNDFAGGVSDGVYGASAYALDYDSLQAKKAWFFFDKEIVCLGAG
INSNAPENITTTLNQSWLNGPVISTAGKTGRGKITTFKAQGQFWLLHDAI
GYYFPEGANLSLSTQSQKGNWFHINNSHSKDEVSGDVFKLWINHGARPEN
AQYAYIVLPGINKPEEIKKYNGTAPKVLANTNQLQAVYHQQLDMVQAIFY
TAGKLSVAGIEIETDKPCAVLIKHINGKQVIWAADPLQKEKTAVLSIRDL
KTGKTNRVKIDFPQQEFAGATVEL |
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| Ligand ID | ASG |
| InChI | InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1 |
| InChIKey | WHCJUIFHMJFEFZ-UIAUGNHASA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O | | ACDLabs 10.04 | O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO | | CACTVS 3.341 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[S](O)(=O)=O)[CH]1O | | CACTVS 3.341 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O[S](O)(=O)=O)[C@@H]1O | | OpenEye OEToolkits 1.5.0 | CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)O |
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| Formula | C8 H15 N O9 S |
| Name | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose;
2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-4-SULFATE;
N-acetyl-4-O-sulfo-beta-D-galactosamine;
2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactose;
2-acetamido-2-deoxy-4-O-sulfo-D-galactose;
2-acetamido-2-deoxy-4-O-sulfo-galactose |
| ChEMBL | |
| DrugBank | DB01872 |
| ZINC | ZINC000013513371
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| PDB chain | 1hmu Chain D Residue 1
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